Crystallography Open Database

Information card for entry 4317771

Preview

Coordinates	4317771.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H28 Cl5 N Pt S
Calculated formula	C30 H28 Cl5 N Pt S
SMILES	C[Pt]1(C)(c2c(c(c(c(c2C=[N]1Cc1ccccc1)Cl)Cl)Cl)Cl)([S](Cc1ccccc1)Cc1ccccc1)Cl
Title of publication	Substitution Reactions on Cyclometalated Pt(IV) Complexes. Associative Tuning by Fluoro Ligands and Fluorinated Substituents
Authors of publication	Paul V. Bernhardt; Carlos Gallego; Manuel Martinez; Teodor Parella
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	1747 - 1754
a	10.818 ± 0.001 Å
b	12.224 ± 0.0007 Å
c	12.162 ± 0.002 Å
α	90°
β	110.436 ± 0.01°
γ	90°
Cell volume	1507.1 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.021
Residual factor for significantly intense reflections	0.0185
Weighted residual factors for significantly intense reflections	0.0462
Weighted residual factors for all reflections included in the refinement	0.0471
Goodness-of-fit parameter for all reflections included in the refinement	1.112
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179257 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/77.	4317771.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4317771.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4317771.cif
14052	2011-03-08	../uploads/cif-deposit/cod/cif Adding structures of 4317771 via cif-deposit CGI script.	4317771.cif